Header list of 1gac.pdb file
Complete list - l 29 2 Bytes
HEADER PEPTIDE/ANTIBIOTIC 24-MAY-95 1GAC TITLE NMR STRUCTURE OF ASYMMETRIC HOMODIMER OF A82846B, A GLYCOPEPTIDE TITLE 2 ANTIBIOTIC, COMPLEXED WITH ITS CELL WALL PENTAPEPTIDE FRAGMENT CAVEAT 1GAC RER E 2 HAS WRONG CHIRALITY AT ATOM C4 RER F 2 HAS WRONG CAVEAT 2 1GAC CHIRALITY AT ATOM C4 RER C 10 HAS WRONG CHIRALITY AT ATOM CAVEAT 3 1GAC C4 RER D 10 HAS WRONG CHIRALITY AT ATOM C4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CELL WALL PENTAPEPTIDE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: CHLOROORIENTICIN A; COMPND 7 CHAIN: C, D; COMPND 8 SYNONYM: A82846B, A82846 FACTOR B, CHLOROEREMOMYCIN; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; SOURCE 4 ORGANISM_TAXID: 31958; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; SOURCE 8 ORGANISM_TAXID: 31958 KEYWDS PEPTIDE-ANTIBIOTIC COMPLEX, CELL WALL PEPTIDE, GLYCOPEPTIDE, KEYWDS 2 ANTIBIOTIC, VANCOMYCIN PEPTIDE-ANTIBIOTIC COMPLEX EXPDTA SOLUTION NMR NUMMDL 80 AUTHOR A.D.KLINE,W.G.PROWSE,M.A.SKELTON,R.J.LONCHARICH REVDAT 5 29-JUL-20 1GAC 1 CAVEAT COMPND REMARK SEQRES REVDAT 5 2 1 HETNAM LINK SITE ATOM REVDAT 4 27-JUL-11 1GAC 1 HETNAM HETSYN REMARK REVDAT 3 13-JUL-11 1GAC 1 VERSN REVDAT 2 24-FEB-09 1GAC 1 VERSN REVDAT 1 17-AUG-96 1GAC 0 JRNL AUTH W.G.PROWSE,A.D.KLINE,M.A.SKELTON,R.J.LONCHARICH JRNL TITL CONFORMATION OF A82846B, A GLYCOPEPTIDE ANTIBIOTIC, JRNL TITL 2 COMPLEXED WITH ITS CELL WALL FRAGMENT: AN ASYMMETRIC JRNL TITL 3 HOMODIMER DETERMINED USING NMR SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 34 9632 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7626632 JRNL DOI 10.1021/BI00029A041 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CHARMM REMARK 3 AUTHORS : BROOKS,BRUCCOLERI,OLAFSON,STATES,SWAMINATHAN, REMARK 3 KARPLUS REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GAC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000173474. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 273.65 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 80 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: CONCENTRATION = 5 MM REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2230 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 2330 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 5.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 CHLOROORIENTICIN A IS A TRICYCLIC GLYCOPEPTIDE, A MEMBER REMARK 400 OF THE VANCOMYCIN FAMILY. THE SCAFFOLD IS A HEPTAPEPTIDE REMARK 400 WITH THE CONFIGURATION D-D-L-D-D-L-L. IT IS FURTHER REMARK 400 GLYCOSYLATED BY ONE DISACCHARIDE AND ONE MONOSACCHARIDE REMARK 400 HERE, CHLOROORIENTICIN A IS REPRESENTED BY GROUPING TOGETHER REMARK 400 THE SEQUENCE (SEQRES) AND THE THREE LIGANDS (HET) BGC AND TWO REMARK 400 RER. REMARK 400 REMARK 400 THE CHLOROORIENTICIN A IS GLYCOPEPTIDE, A MEMBER OF ANTIBIOTIC REMARK 400 CLASS. REMARK 400 REMARK 400 GROUP: 1 REMARK 400 NAME: CHLOROORIENTICIN A REMARK 400 CHAIN: C, D, E, F REMARK 400 COMPONENT_1: PEPTIDE LIKE POLYMER REMARK 400 COMPONENT_2: RESIDUE BGC REMARK 400 COMPONENT_3: RESIDUE RER, 2 COPIES REMARK 400 DESCRIPTION: CHLOROORIENTICIN A IS A TRICYCLIC GLYCOPEPTIDE, REMARK 400 GLYCOSYLATED BY ONE DISACCHARIDE ON RESIDUE 4 AND REMARK 400 ONE MONOSACCHARIDE ON RESIDUE 6. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 DAL B 4 -169.72 -177.27 REMARK 500 1 ASN C 3 -73.52 -141.81 REMARK 500 1 GHP C 5 -141.17 173.48 REMARK 500 1 ASN D 3 -74.53 -138.88 REMARK 500 1 GHP D 5 -141.07 174.62 REMARK 500 2 ASN C 3 -73.58 -141.74 REMARK 500 2 GHP C 5 -141.18 174.02 REMARK 500 2 ASN D 3 -74.32 -139.64 REMARK 500 2 GHP D 5 -141.56 174.26 REMARK 500 3 DAL B 4 -157.84 -179.03 REMARK 500 3 ASN C 3 -73.10 -141.80 REMARK 500 3 GHP C 5 -141.52 174.29 REMARK 500 3 ASN D 3 -73.97 -138.68 REMARK 500 3 GHP D 5 -141.16 176.17 REMARK 500 4 ASN C 3 -71.96 -142.67 REMARK 500 4 GHP C 5 -141.61 174.30 REMARK 500 4 ASN D 3 -73.15 -138.38 REMARK 500 4 GHP D 5 -141.60 175.46 REMARK 500 5 DAL B 4 -128.37 -175.85 REMARK 500 5 ASN C 3 -72.85 -142.16 REMARK 500 5 GHP C 5 -141.62 174.30 REMARK 500 5 ASN D 3 -73.07 -138.98 REMARK 500 5 GHP D 5 -141.16 174.72 REMARK 500 6 ASN C 3 -72.86 -142.02 REMARK 500 6 GHP C 5 -141.43 174.44 REMARK 500 6 ASN D 3 -73.10 -139.22 REMARK 500 6 GHP D 5 -141.35 175.61 REMARK 500 7 DAL B 4 -141.20 -178.53 REMARK 500 7 ASN C 3 -73.23 -141.96 REMARK 500 7 GHP C 5 -141.56 174.55 REMARK 500 7 ASN D 3 -73.77 -138.30 REMARK 500 7 GHP D 5 -141.10 177.25 REMARK 500 8 DAL B 4 -157.83 -179.06 REMARK 500 8 ASN C 3 -72.98 -141.85 REMARK 500 8 GHP C 5 -141.52 174.27 REMARK 500 8 ASN D 3 -73.98 -138.74 REMARK 500 8 GHP D 5 -141.17 176.20 REMARK 500 9 ASN C 3 -72.89 -142.06 REMARK 500 9 GHP C 5 -141.51 174.37 REMARK 500 9 ASN D 3 -73.17 -139.14 REMARK 500 9 GHP D 5 -141.54 175.82 REMARK 500 10 ASN C 3 -71.88 -142.46 REMARK 500 10 GHP C 5 -141.43 174.91 REMARK 500 10 ASN D 3 -73.37 -138.16 REMARK 500 10 GHP D 5 -141.75 174.89 REMARK 500 11 ASN C 3 -71.47 -142.96 REMARK 500 11 GHP C 5 -141.64 174.51 REMARK 500 11 ASN D 3 -72.82 -138.65 REMARK 500 11 GHP D 5 -141.52 174.83 REMARK 500 12 ASN C 3 -69.86 -144.89 REMARK 500 REMARK 500 THIS ENTRY HAS 344 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AA5 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VANCOMYCIN REMARK 900 RELATED ID: 1C0Q RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VANCOMYCIN COMPLEXED WITH 2-ACETOXY-D- REMARK 900 PROPANOIC ACID REMARK 900 RELATED ID: 1C0R RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VANCOMYCIN WITH D-LACTIC ACID REMARK 900 RELATED ID: 1FVM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VANCOMYCIN COMPLEXED WITH DI-ACETYL-LYS-D-ALA- REMARK 900 D-ALA REMARK 900 RELATED ID: 1GHG RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VANCOMYCIN AGLYCON REMARK 900 RELATED ID: 1PN3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TDP-EPI-VANCOSAMINYLTRANSFERASE GTFA COMPLEXD REMARK 900 WITH TDP AND DESVANCOSAMINYL VANCOMYCIN REMARK 900 RELATED ID: 1PNV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TDP-EPI-VANCOSAMINYLTRANSFERASE GTFA COMPLEXED REMARK 900 WITH TDP AND VANCOMYCIN REMARK 900 RELATED ID: 1QD8 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VANCOMYCIN COMPLEXED WITH N-ACETYL GLYCIN REMARK 900 RELATED ID: 1RRV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TDP-VANCOSAMINYLTRANSFERASE GTFD COMPLEXED REMARK 900 WITH TDP AND DESVANCOSAMINYL VANCOMYCIN. REMARK 900 RELATED ID: 1SHO RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF VANCOMYCIN DBREF 1GAC A 1 5 PDB 1GAC 1GAC 1 5 DBREF 1GAC B 1 5 PDB 1GAC 1GAC 1 5 DBREF 1GAC C 1 7 NOR NOR00687 NOR00687 1 7 DBREF 1GAC D 1 7 NOR NOR00687 NOR00687 1 7 SEQRES 1 A 5 ALA FGA LYS DAL DAL SEQRES 1 B 5 ALA FGA LYS DAL DAL SEQRES 1 C 7 MLU OMZ ASN GHP GHP OMY 3FG SEQRES 1 D 7 MLU OMZ ASN GHP GHP OMY 3FG HET FGA A 2 14 HET DAL A 4 10 HET DAL A 5 11 HET FGA B 2 14 HET DAL B 4 10 HET DAL B 5 11 HET MLU C 1 24 HET OMZ C 2 21 HET GHP C 4 15 HET GHP C 5 17 HET OMY C 6 20 HET 3FG C 7 19 HET MLU D 1 24 HET OMZ D 2 21 HET GHP D 4 15 HET GHP D 5 17 HET OMY D 6 20 HET 3FG D 7 19 HET BGC E 1 21 HET RER E 2 25 HET BGC F 1 21 HET RER F 2 25 HET RER C 10 25 HET RER D 10 25 HETNAM FGA GAMMA-D-GLUTAMIC ACID HETNAM DAL D-ALANINE HETNAM MLU N-METHYL-D-LEUCINE HETNAM OMZ (BETAR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE HETNAM GHP (2R)-AMINO(4-HYDROXYPHENYL)ETHANOIC ACID HETNAM OMY (BETAR)-3-CHLORO-BETA-HYDROXY-L-TYROSINE HETNAM 3FG (2S)-AMINO(3,5-DIHYDROXYPHENYL)ETHANOIC ACID HETNAM BGC BETA-D-GLUCOPYRANOSE HETNAM RER VANCOSAMINE HETSYN FGA D-GLUTAMIC ACID HETSYN RER VANCOSAMINE FORMUL 1 FGA 2(C5 H9 N O4) FORMUL 1 DAL 4(C3 H7 N O2) FORMUL 3 MLU 2(C7 H15 N O2) FORMUL 3 OMZ 2(C9 H10 CL N O4) FORMUL 3 GHP 4(C8 H9 N O3) FORMUL 3 OMY 2(C9 H10 CL N O4) FORMUL 3 3FG 2(C8 H9 N O4) FORMUL 5 BGC 2(C6 H12 O6) FORMUL 5 RER 4(C7 H15 N O3) SHEET 1 AA 2 DAL A 4 DAL A 5 0 SHEET 2 AA 2 GHP C 4 GHP C 5 -1 O GHP C 4 N DAL A 5 LINK C ALA A 1 N FGA A 2 1555 1555 1.34 LINK CD FGA A 2 N LYS A 3 1555 1555 1.35 LINK C LYS A 3 N DAL A 4 1555 1555 1.34 LINK C DAL A 4 N DAL A 5 1555 1555 1.34 LINK C ALA B 1 N FGA B 2 1555 1555 1.34 LINK CD FGA B 2 N LYS B 3 1555 1555 1.34 LINK C LYS B 3 N DAL B 4 1555 1555 1.34 LINK C DAL B 4 N DAL B 5 1555 1555 1.34 LINK C MLU C 1 N OMZ C 2 1555 1555 1.35 LINK C OMZ C 2 N ASN C 3 1555 1555 1.36 LINK OH OMZ C 2 C5 GHP C 4 1555 1555 1.42 LINK C ASN C 3 N GHP C 4 1555 1555 1.35 LINK C GHP C 4 N GHP C 5 1555 1555 1.35 LINK C3 GHP C 4 OCZ OMY C 6 1555 1555 1.42 LINK O4 GHP C 4 C1 BGC E 1 1555 1555 1.41 LINK C GHP C 5 N OMY C 6 1555 1555 1.36 LINK C3 GHP C 5 CG1 3FG C 7 1555 1555 1.49 LINK C OMY C 6 N 3FG C 7 1555 1555 1.35 LINK ODE OMY C 6 C1 RER C 10 1555 1555 1.41 LINK C MLU D 1 N OMZ D 2 1555 1555 1.35 LINK C OMZ D 2 N ASN D 3 1555 1555 1.36 LINK OH OMZ D 2 C5 GHP D 4 1555 1555 1.42 LINK C ASN D 3 N GHP D 4 1555 1555 1.35 LINK C GHP D 4 N GHP D 5 1555 1555 1.35 LINK C3 GHP D 4 OCZ OMY D 6 1555 1555 1.42 LINK O4 GHP D 4 C1 BGC F 1 1555 1555 1.41 LINK C GHP D 5 N OMY D 6 1555 1555 1.36 LINK C3 GHP D 5 CG1 3FG D 7 1555 1555 1.49 LINK C OMY D 6 N 3FG D 7 1555 1555 1.36 LINK ODE OMY D 6 C1 RER D 10 1555 1555 1.41 LINK O2 BGC E 1 C1 RER E 2 1555 1555 1.41 LINK O2 BGC F 1 C1 RER F 2 1555 1555 1.41 CISPEP 1 GHP C 5 OMY C 6 1 0.35 CISPEP 2 GHP D 5 OMY D 6 1 0.57 CISPEP 3 GHP C 5 OMY C 6 2 0.27 CISPEP 4 GHP D 5 OMY D 6 2 0.39 CISPEP 5 GHP C 5 OMY C 6 3 0.36 CISPEP 6 GHP D 5 OMY D 6 3 0.54 CISPEP 7 GHP C 5 OMY C 6 4 0.45 CISPEP 8 GHP D 5 OMY D 6 4 0.50 CISPEP 9 GHP C 5 OMY C 6 5 0.29 CISPEP 10 GHP D 5 OMY D 6 5 0.61 CISPEP 11 GHP C 5 OMY C 6 6 0.40 CISPEP 12 GHP D 5 OMY D 6 6 0.62 CISPEP 13 GHP C 5 OMY C 6 7 0.34 CISPEP 14 GHP D 5 OMY D 6 7 0.46 CISPEP 15 GHP C 5 OMY C 6 8 0.37 CISPEP 16 GHP D 5 OMY D 6 8 0.45 CISPEP 17 GHP C 5 OMY C 6 9 0.50 CISPEP 18 GHP D 5 OMY D 6 9 0.74 CISPEP 19 GHP C 5 OMY C 6 10 0.36 CISPEP 20 GHP D 5 OMY D 6 10 0.28 CISPEP 21 GHP C 5 OMY C 6 11 0.47 CISPEP 22 GHP D 5 OMY D 6 11 0.22 CISPEP 23 GHP C 5 OMY C 6 12 0.31 CISPEP 24 GHP D 5 OMY D 6 12 0.70 CISPEP 25 GHP C 5 OMY C 6 13 0.46 CISPEP 26 GHP D 5 OMY D 6 13 0.47 CISPEP 27 GHP C 5 OMY C 6 14 0.31 CISPEP 28 GHP D 5 OMY D 6 14 0.03 CISPEP 29 GHP C 5 OMY C 6 15 0.48 CISPEP 30 GHP D 5 OMY D 6 15 0.71 CISPEP 31 GHP C 5 OMY C 6 16 0.19 CISPEP 32 GHP D 5 OMY D 6 16 0.55 CISPEP 33 GHP C 5 OMY C 6 17 0.36 CISPEP 34 GHP D 5 OMY D 6 17 0.13 CISPEP 35 GHP C 5 OMY C 6 18 0.29 CISPEP 36 GHP D 5 OMY D 6 18 0.75 CISPEP 37 GHP C 5 OMY C 6 19 0.66 CISPEP 38 GHP D 5 OMY D 6 19 0.38 CISPEP 39 GHP C 5 OMY C 6 20 0.38 CISPEP 40 GHP D 5 OMY D 6 20 0.17 CISPEP 41 GHP C 5 OMY C 6 21 0.29 CISPEP 42 GHP D 5 OMY D 6 21 0.69 CISPEP 43 GHP C 5 OMY C 6 22 0.31 CISPEP 44 GHP D 5 OMY D 6 22 0.75 CISPEP 45 GHP C 5 OMY C 6 23 0.16 CISPEP 46 GHP D 5 OMY D 6 23 0.56 CISPEP 47 GHP C 5 OMY C 6 24 0.18 CISPEP 48 GHP D 5 OMY D 6 24 0.57 CISPEP 49 GHP C 5 OMY C 6 25 0.31 CISPEP 50 GHP D 5 OMY D 6 25 0.73 CISPEP 51 GHP C 5 OMY C 6 26 0.20 CISPEP 52 GHP D 5 OMY D 6 26 0.54 CISPEP 53 GHP C 5 OMY C 6 27 0.35 CISPEP 54 GHP D 5 OMY D 6 27 0.70 CISPEP 55 GHP C 5 OMY C 6 28 0.40 CISPEP 56 GHP D 5 OMY D 6 28 0.65 CISPEP 57 GHP C 5 OMY C 6 29 0.17 CISPEP 58 GHP D 5 OMY D 6 29 1.09 CISPEP 59 GHP C 5 OMY C 6 30 0.41 CISPEP 60 GHP D 5 OMY D 6 30 0.21 CISPEP 61 GHP C 5 OMY C 6 31 0.50 CISPEP 62 GHP D 5 OMY D 6 31 0.42 CISPEP 63 GHP C 5 OMY C 6 32 0.42 CISPEP 64 GHP D 5 OMY D 6 32 0.33 CISPEP 65 GHP C 5 OMY C 6 33 0.40 CISPEP 66 GHP D 5 OMY D 6 33 0.32 CISPEP 67 GHP C 5 OMY C 6 34 0.38 CISPEP 68 GHP D 5 OMY D 6 34 0.39 CISPEP 69 GHP C 5 OMY C 6 35 0.43 CISPEP 70 GHP D 5 OMY D 6 35 0.33 CISPEP 71 GHP C 5 OMY C 6 36 0.19 CISPEP 72 GHP D 5 OMY D 6 36 0.71 CISPEP 73 GHP C 5 OMY C 6 37 0.11 CISPEP 74 GHP D 5 OMY D 6 37 1.10 CISPEP 75 GHP C 5 OMY C 6 38 0.65 CISPEP 76 GHP D 5 OMY D 6 38 0.69 CISPEP 77 GHP C 5 OMY C 6 39 0.48 CISPEP 78 GHP D 5 OMY D 6 39 0.26 CISPEP 79 GHP C 5 OMY C 6 40 0.59 CISPEP 80 GHP D 5 OMY D 6 40 0.42 CISPEP 81 GHP C 5 OMY C 6 41 0.40 CISPEP 82 GHP D 5 OMY D 6 41 0.39 CISPEP 83 GHP C 5 OMY C 6 42 0.36 CISPEP 84 GHP D 5 OMY D 6 42 -0.28 CISPEP 85 GHP C 5 OMY C 6 43 0.12 CISPEP 86 GHP D 5 OMY D 6 43 0.57 CISPEP 87 GHP C 5 OMY C 6 44 0.34 CISPEP 88 GHP D 5 OMY D 6 44 1.07 CISPEP 89 GHP C 5 OMY C 6 45 0.24 CISPEP 90 GHP D 5 OMY D 6 45 0.86 CISPEP 91 GHP C 5 OMY C 6 46 0.07 CISPEP 92 GHP D 5 OMY D 6 46 -0.02 CISPEP 93 GHP C 5 OMY C 6 47 0.14 CISPEP 94 GHP D 5 OMY D 6 47 0.61 CISPEP 95 GHP C 5 OMY C 6 48 0.17 CISPEP 96 GHP D 5 OMY D 6 48 0.69 CISPEP 97 GHP C 5 OMY C 6 49 0.18 CISPEP 98 GHP D 5 OMY D 6 49 0.67 CISPEP 99 GHP C 5 OMY C 6 50 0.15 CISPEP 100 GHP D 5 OMY D 6 50 0.85 CISPEP 101 GHP C 5 OMY C 6 51 0.37 CISPEP 102 GHP D 5 OMY D 6 51 0.60 CISPEP 103 GHP C 5 OMY C 6 52 0.27 CISPEP 104 GHP D 5 OMY D 6 52 0.43 CISPEP 105 GHP C 5 OMY C 6 53 0.41 CISPEP 106 GHP D 5 OMY D 6 53 0.28 CISPEP 107 GHP C 5 OMY C 6 54 0.07 CISPEP 108 GHP D 5 OMY D 6 54 1.14 CISPEP 109 GHP C 5 OMY C 6 55 0.20 CISPEP 110 GHP D 5 OMY D 6 55 0.36 CISPEP 111 GHP C 5 OMY C 6 56 0.41 CISPEP 112 GHP D 5 OMY D 6 56 0.48 CISPEP 113 GHP C 5 OMY C 6 57 0.11 CISPEP 114 GHP D 5 OMY D 6 57 0.84 CISPEP 115 GHP C 5 OMY C 6 58 0.30 CISPEP 116 GHP D 5 OMY D 6 58 0.80 CISPEP 117 GHP C 5 OMY C 6 59 0.32 CISPEP 118 GHP D 5 OMY D 6 59 0.45 CISPEP 119 GHP C 5 OMY C 6 60 0.22 CISPEP 120 GHP D 5 OMY D 6 60 0.86 CISPEP 121 GHP C 5 OMY C 6 61 0.30 CISPEP 122 GHP D 5 OMY D 6 61 0.85 CISPEP 123 GHP C 5 OMY C 6 62 0.38 CISPEP 124 GHP D 5 OMY D 6 62 0.68 CISPEP 125 GHP C 5 OMY C 6 63 0.38 CISPEP 126 GHP D 5 OMY D 6 63 0.49 CISPEP 127 GHP C 5 OMY C 6 64 0.21 CISPEP 128 GHP D 5 OMY D 6 64 0.34 CISPEP 129 GHP C 5 OMY C 6 65 0.29 CISPEP 130 GHP D 5 OMY D 6 65 0.66 CISPEP 131 GHP C 5 OMY C 6 66 0.21 CISPEP 132 GHP D 5 OMY D 6 66 0.71 CISPEP 133 GHP C 5 OMY C 6 67 0.35 CISPEP 134 GHP D 5 OMY D 6 67 0.60 CISPEP 135 GHP C 5 OMY C 6 68 0.24 CISPEP 136 GHP D 5 OMY D 6 68 0.51 CISPEP 137 GHP C 5 OMY C 6 69 0.24 CISPEP 138 GHP D 5 OMY D 6 69 0.46 CISPEP 139 GHP C 5 OMY C 6 70 0.06 CISPEP 140 GHP D 5 OMY D 6 70 0.08 CISPEP 141 GHP C 5 OMY C 6 71 0.30 CISPEP 142 GHP D 5 OMY D 6 71 0.16 CISPEP 143 GHP C 5 OMY C 6 72 0.31 CISPEP 144 GHP D 5 OMY D 6 72 0.28 CISPEP 145 GHP C 5 OMY C 6 73 0.13 CISPEP 146 GHP D 5 OMY D 6 73 -0.05 CISPEP 147 GHP C 5 OMY C 6 74 0.19 CISPEP 148 GHP D 5 OMY D 6 74 0.43 CISPEP 149 GHP C 5 OMY C 6 75 0.16 CISPEP 150 GHP D 5 OMY D 6 75 0.77 CISPEP 151 GHP C 5 OMY C 6 76 0.11 CISPEP 152 GHP D 5 OMY D 6 76 0.53 CISPEP 153 GHP C 5 OMY C 6 77 0.26 CISPEP 154 GHP D 5 OMY D 6 77 0.71 CISPEP 155 GHP C 5 OMY C 6 78 0.23 CISPEP 156 GHP D 5 OMY D 6 78 0.46 CISPEP 157 GHP C 5 OMY C 6 79 0.21 CISPEP 158 GHP D 5 OMY D 6 79 0.74 CISPEP 159 GHP C 5 OMY C 6 80 0.32 CISPEP 160 GHP D 5 OMY D 6 80 0.56 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1
Complete list - l 29 2 Bytes